HRID1133344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12503

(3-Bromopropyl)benzene

C9H11Br

结构：CC1CCC(N(CCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24988937

2-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-phenethyl-ureido]-thiazol-5-ylsulfanyl}-propionic acid

C23H31N3O3S2

HCID57481427

Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

C9H14N2O2S2

PRODUCTS

生成物

结构：CC1CCC(N(CCCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID57481393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50a2440f7e042adb45919bf115e99ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:32][CH2:33][CH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH2:42]([O:43][C:44](=[O:45])[C:46]([S:47][c:48]1[s:49][c:50]([NH2:51])[n:52][cH:53]1)([CH3:54])[CH3:55])[CH3:56].[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[s:12]1>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[s:12]1